Compound Identification
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C1=C2C(ON1)=CN=C(C(=O)NCC(O)=O)C2=O
InChIKey
InChIKey=QYJBIAFASGYBJS-UHFFFAOYSA-N
Formula
C16H13N3O7S
Mass
391.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Pyridinecarboxylic acids and derivatives Benzenesulfonyl compounds Isoxazolopyridines 2-heteroaryl carboxamides Vinylogous amides Sulfones Heteroaromatic compounds Isoxazoles Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Benzenesulfonyl group - 1,2-oxazolopyridine - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Monocyclic benzene moiety - Pyridine - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Vinylogous amide - Sulfonyl - Sulfone - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available